| SpectraBase Compound ID | FnPKSavjr69 |
|---|---|
| InChI | InChI=1S/C54H86S/c1-35(2)13-11-15-37(5)45-21-23-47-43-19-17-39-33-41(25-29-51(39,7)49(43)27-31-53(45,47)9)55-42-26-30-52(8)40(34-42)18-20-44-48-24-22-46(38(6)16-12-14-36(3)4)54(48,10)32-28-50(44)52/h17-18,33-38,43-50H,11-16,19-32H2,1-10H3/t37?,38?,43-,44-,45+,46+,47-,48-,49-,50-,51-,52-,53+,54+/m0/s1 |
| InChIKey | AWYWRUOKFXZSKH-FXHNQIJTSA-N |
| Mol Weight | 767.3 g/mol |
| Molecular Formula | C54H86S |
| Exact Mass | 766.645024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JXz7R4Z8Fu5 |
|---|---|
| Name | AWYWRUOKFXZSKH-FXHNQIJTSA-N |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86S |
| InChI | InChI=1S/C54H86S/c1-35(2)13-11-15-37(5)45-21-23-47-43-19-17-39-33-41(25-29-51(39,7)49(43)27-31-53(45,47)9)55-42-26-30-52(8)40(34-42)18-20-44-48-24-22-46(38(6)16-12-14-36(3)4)54(48,10)32-28-50(44)52/h17-18,33-38,43-50H,11-16,19-32H2,1-10H3/t37?,38?,43-,44-,45+,46+,47-,48-,49-,50-,51-,52-,53+,54+/m0/s1 |
| InChIKey | AWYWRUOKFXZSKH-FXHNQIJTSA-N |
| Literature Reference Author | N.M.KRSTIC,M.S.BJELAKOVIC,M.M.DABOVIC,V.D.PAVLOVIC |
| Literature Reference Citation | MOLECULES,15,3462(2010) |
| Literature Reference DOI | 10.3390/molecules15053462 |
| Molecular Weight | 767.337 g/mol |
| Sample ID | 70901 |
| Solvent | CDCl3 |